N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide

C17H19BrN2O — CID 62508720

IUPACN-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-12-8-9-16(19-2)14(10-12)17(21)20(3)11-13-6-4-5-7-15(13)18/h4-10,19H,11H2,1-3H3
InChIKeyVFGSLURBKBCINJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.07
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide

N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide (PubChem CID 62508720) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide
PubChem CID62508720
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-12-8-9-16(19-2)14(10-12)17(21)20(3)11-13-6-4-5-7-15(13)18/h4-10,19H,11H2,1-3H3
InChIKeyVFGSLURBKBCINJ-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
N,5-dimethyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509503
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
5-methyl-2-(methylamino)-N-[(2-methylphenyl)methyl]benzamide
CID 62509176
N-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 105069435
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 60630938

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide (CID 62508720) is N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide?
The InChIKey is VFGSLURBKBCINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-8-9-16(19-2)14(10-12)17(21)20(3)11-13-6-4-5-7-15(13)18/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide?
N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide has a molecular weight of 347.26 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide is sourced from PubChem (CID 62508720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).